(2E,6S)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-6-methyl-cyclohexanone Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])/C1=O

InChI

InChI=1S/C15H17NO5/c1-9-4-3-5-11(14(9)17)6-10-7-12(16(19)20)15(18)13(8-10)21-2/h6-9,18H,3-5H2,1-2H3/b11-6+/t9-/m0/s1